Geometry & MOs

Info

ID:

387854

PubChem CID:

134987138

Reduced:

NO2H10C11 (1)

Stoich.:

AB2C10D11 (1)

Weight, g/mol:

233.068808

ΔHf, kcal/mol:

-39.89

Dipole, Da:

6.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.997280

Charge, e:

 0

Chem-info

IUPAC name:

7-methoxy-1,6-dimethyl-2H-isoquinoline-3,5,8-trione

Drug info:

PubChemData

Smile

CC1=C[N+]2=CC=CC=C2C=C1C(=O)O

DOS

IR

Vibrations